MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008582
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008582
RECORD_TITLE: 1,12-DODECANEDIOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 1,12-DODECANEDIOL
CH$NAME: 1,12-DIHYDROXYDODECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H26O2
CH$EXACT_MASS: 202.19328
CH$SMILES: OCCCCCCCCCCCCO
CH$IUPAC: InChI=1S/C12H26O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h13-14H,1-12H2
CH$LINK: INCHIKEY
GHLKSLMMWAKNBM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1074919
AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-05o3-9000000000-5ae7ecc08ed83bbd0832
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
16 1.17 12
18 9.69 97
27 11.59 116
29 15.79 158
31 38.24 382
39 8.95 90
41 65.32 653
42 15.6 156
43 27.07 271
44 2.02 20
45 4.42 44
53 4.4 44
54 24.18 242
55 99.99 999
56 18.09 181
57 16.83 168
66 3.62 36
67 36.93 369
68 46.15 462
69 37.02 370
70 12.13 121
71 7.33 73
73 1.8 18
81 28.99 290
82 63.01 630
83 23.91 239
84 5.92 59
85 4.87 49
95 23.81 238
96 24.56 246
97 11.82 118
98 3.39 34
109 10.4 104
110 9.6 96
111 3.96 40
123 3.6 36
124 1.1 11
138 1.88 19
//